[HTML][HTML] Optimization of the elastic properties of block copolymers using coarse-grained simulation and an artificial neural network
T Aoyagi - Computational Materials Science, 2022 - Elsevier
Block copolymers consisting of immiscible glassy and rubbery blocks have microphase-
separated structures that result in various elastic properties depending on the polymer …
separated structures that result in various elastic properties depending on the polymer …
[HTML][HTML] Coarse-grained molecular dynamics study of elasticity of block copolymers with cubic symmetrical morphology
T Aoyagi - Polymer, 2022 - Elsevier
In the present study, we investigated the elasticity of block copolymers by coarse-grained
molecular dynamics simulation. We focused on two typical cubic symmetry morphologies …
molecular dynamics simulation. We focused on two typical cubic symmetry morphologies …
Mechanical properties of hard–soft block copolymers calculated from coarse‐grained molecular dynamics models
To relate the mechanical responses of hard–soft copolymer systems with their
microstructures, a coarse‐grained molecular dynamics approach is employed, and …
microstructures, a coarse‐grained molecular dynamics approach is employed, and …
[HTML][HTML] High-throughput prediction of stress–strain curves of thermoplastic elastomer model block copolymers by combining hierarchical simulation and deep …
T Aoyagi - MRS Advances, 2021 - Springer
We achieved high-throughput prediction of the stress–strain (S–S) curves of thermoplastic
elastomers by combining hierarchical simulation and deep learning. ABA triblock copolymer …
elastomers by combining hierarchical simulation and deep learning. ABA triblock copolymer …
Coarse-grained molecular dynamics model of AB diblock copolymers composed of blocks with different Lennard-Jones parameters forming lamellar structures
K Hagita, T Murashima - Polymer, 2024 - Elsevier
In thermoplastic elastomers, the structure formation of hard and soft domains and the
mechanical response to deformation remain vital areas of interest. To realize the coarse …
mechanical response to deformation remain vital areas of interest. To realize the coarse …
Coarse-grained molecular dynamics modeling of segmented block copolymers: impact of the chain architecture on crystallization and morphology
We extend our recent coarse-grained model describing semicrystalline homopolymers to
simulate the morphology and phase transitions of thermoplastic elastomers made of …
simulate the morphology and phase transitions of thermoplastic elastomers made of …
Thermomechanical properties and deformation of coarse-grained models of hard-soft block copolymers
Z Cui, LC Brinson - Physical Review E, 2013 - APS
In this paper, we investigate the enhancement mechanism of the mechanical properties for
hard-soft block copolymers by using molecular dynamics simulations at various …
hard-soft block copolymers by using molecular dynamics simulations at various …
Correlating structure-mechanics relationship of multiblock copolymers: Insights from molecular dynamics simulation
W Huang, Q Chen, P Duan, L Zhang, J Shen, J Liu - Polymer, 2023 - Elsevier
Multiblock copolymers (MBCs) have garnered considerable interest in both industrial and
fundamental polymer science. However, the phase structure and properties at a molecular …
fundamental polymer science. However, the phase structure and properties at a molecular …
Micromechanical simulation of molecular architecture and orientation effect on deformation and fracture of multiblock copolymers
Multiblock copolymers containing a large number of blocks have distinct microstructures and
mechanical responses that are different from that of conventional diblock and triblock …
mechanical responses that are different from that of conventional diblock and triblock …
A novel scheme for prediction of deformation mechanisms of block copolymers based on phase behavior
R Weidisch, M Ensslen, GH Michler, M Arnold… - …, 2001 - ACS Publications
Block copolymers having different strengths of segregation are investigated with respect to
their deformation behavior. Disordered block copolymers are deformed by the mechanism …
their deformation behavior. Disordered block copolymers are deformed by the mechanism …
相关搜索
- elastic properties block copolymers
- molecular dynamics block copolymers
- chain architecture block copolymers
- phase behavior block copolymers
- micromechanical simulation multiblock copolymers
- crystallization and morphology block copolymers
- deformation mechanisms block copolymers
- thermomechanical properties block copolymers
- mechanical properties block copolymers